期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 5, 期 24, 页码 4260-4264出版社
AMER CHEMICAL SOC
DOI: 10.1021/jz502135f
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资金
- U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Geoscience Research Program of Oak Ridge National Laboratory [ERKCC72]
- UT Battelle, LLC [DE-AC05-00OR22725]
The lack of a simple analytical description of the hard-sphere fluid in a matrix with hard-core obstacles is limiting progress in the development of thermodynamic perturbation theories for the fluid in random porous media. We propose a simple and highly accurate analytical scheme, which allows us to calculate thermodynamic and percolation properties of a network-forming fluid confined in the random porous media, represented by the hard-sphere fluid and overlapping hard-sphere matrices, respectively. Our scheme is based on the combination of scaled-particle theory, Wertheim's thermodynamic perturbation theory for associating fluids and extension of the Flory-Stockmayer theory for percolation. The liquid-gas phase diagram and percolation threshold line for several versions of the patchy colloidal fluid model confined in a random porous media are calculated and discussed. The method presented enables calculation of the thermodynamic and percolation properties of a large variety of polymerizing and network-forming fluids confined in random porous media.
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